8-(4-chloranylphenoxy)-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 8-(4-chloranylphenoxy)-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-(4-chlorophenoxy)-7-isopentyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-chlorophenoxy)-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(4-chlorophenoxy)-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(4-chlorophenoxy)-7-isoamyl-1,3-dimethyl-xanthine Formula: C18H21ClN4O3 MolecularWeight: 376.83734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1OC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1OC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H21ClN4O3/c1-11(2)9-10-23-14-15(21(3)18(25)22(4)16(14)24)20-17(23)26-13-7-5-12(19)6-8-13/h5-8,11H,9-10H2,1-4H3